Revisiting a classic carbocation–DFT, coupled-cluster, and ab initio molecular dynamics...

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Potential Energy Landscape as a Framework for Develo** Innovative Materials

NA Andreeva, VV Chaban - arxiv preprint arxiv:2411.03732, 2024 - arxiv.org
In the contemporary era of rapid advancements in materials science, the development of
new compounds and materials is proceeding at an accelerated pace. The concept of the …
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